Compound Detail
CHEMBL106481
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Basic Information
| ChEMBL ID | CHEMBL106481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBQMHQKLCCUIDH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.41
ALogP
4
HBA
1
HBD
46.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 11.0 | 11.0 | 0.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.77 | 6.77 | 168.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.01 | nM | 11.0 | Affinity for RB Serotonin transporter was determined in vitro by incubating comp... | 11814784 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 168.2 | nM | 6.77 | In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the d... | 11814784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814784 | 10.1016/s0960-894x(01)00746-6 | 5-hydroxytryptamine receptor 1A | 5 |
| 11814784 | 10.1016/s0960-894x(01)00746-6 | Sodium-dependent serotonin transporter | 2 |
| 11814784 | 10.1016/s0960-894x(01)00746-6 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine